3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one

C18H24N4O4S — CID 110617502

About 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one

3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110617502) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
• PubChem CID: 110617502
• Molecular Formula: C18H24N4O4S
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.15
• IUPAC Name: 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
• SMILES: CC(C)c1nnc(N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)o1
• InChI: InChI=1S/C18H24N4O4S/c1-14(2)17-19-20-18(26-17)22-11-9-21(10-12-22)16(23)8-13-27(24,25)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
• InChIKey: BZONYCNFLPDCHS-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 96.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?

The IUPAC name of 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (CID 110617502) is 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.

What is the SMILES notation for 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?

The canonical SMILES for 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is CC(C)c1nnc(N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)o1.

What is the InChIKey of 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?

The InChIKey is BZONYCNFLPDCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-14(2)17-19-20-18(26-17)22-11-9-21(10-12-22)16(23)8-13-27(24,25)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3.

What are the key properties of 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?

3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 392.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110617502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).